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root/OpenMD/trunk/src/brains/ForceManager.cpp
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Comparing trunk/src/brains/ForceManager.cpp (file contents):
Revision 2066 by gezelter, Thu Mar 5 15:22:54 2015 UTC vs.
Revision 2070 by gezelter, Sat Mar 7 16:59:57 2015 UTC

# Line 68 | Line 68 | namespace OpenMD {
68   using namespace std;
69   namespace OpenMD {
70    
71 <  ForceManager::ForceManager(SimInfo * info) : info_(info),
72 <                                               initialized_(false),
71 >  ForceManager::ForceManager(SimInfo * info) : initialized_(false), info_(info),
72                                                 switcher_(NULL) {
73      forceField_ = info_->getForceField();
74      interactionMan_ = new InteractionManager();
# Line 116 | Line 115 | namespace OpenMD {
115    void ForceManager::setupCutoffs() {
116      
117      Globals* simParams_ = info_->getSimParams();
119 –    ForceFieldOptions& forceFieldOptions_ = forceField_->getForceFieldOptions();
118      int mdFileVersion;
119      rCut_ = 0.0; //Needs a value for a later max() call;  
120      
# Line 657 | Line 655 | namespace OpenMD {
655      Vector3d d_grp, dag, d, gvel2, vel2;
656      RealType rgrpsq, rgrp, r2, r;
657      RealType electroMult, vdwMult;
658 <    RealType vij;
658 >    RealType vij(0.0);
659      Vector3d fij, fg, f1;
660      bool in_switching_region;
661      RealType sw, dswdr, swderiv;
# Line 723 | Line 721 | namespace OpenMD {
721          }
722        }
723  
724 <      for (cg1 = 0; cg1 < point_.size() - 1; cg1++) {
724 >      for (cg1 = 0; cg1 < int(point_.size()) - 1; cg1++) {
725          
726          atomListRow = fDecomp_->getAtomsInGroupRow(cg1);        
727          newAtom1 = true;

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